Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 8/20 | 0.74 |
| ▸ | DRD3 | P35462 | 6/20 | 0.74 |
| ▸ | DRD2 | P14416 | 7/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | PRCP | P42785 | 5/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8606202 | 0.87 | DRD4 (0.86) | DRD4DRD3DRD2CYP1A2CYP3A4 | |
| SCHEMBL1387864 | 0.85 | DRD4 (1.00) | DRD4DRD3DRD2CYP1A2CYP3A4 | |
| SCHEMBL1388420 | 0.73 | DRD4 (0.68) | DRD4DRD3DRD2CYP1A2CYP3A4 | |
| SCHEMBL1388774 | 0.73 | DRD4 (1.00) | DRD4DRD3DRD2CYP1A2CYP3A4 | |
| SCHEMBL1388377 | 0.73 | DRD4 (1.00) | DRD4DRD3DRD2CYP1A2CYP3A4 | |
| SCHEMBL14849618 | 0.72 | PRCP (1.00) | DRD4DRD3DRD2CYP1A2CYP3A4 | |
| SCHEMBL6366585 | 0.70 | PRCP (0.52) | DRD4DRD3DRD2CYP1A2CYP3A4 | |
| SCHEMBL6039802 | 0.70 | PRCP (0.57) | DRD4DRD3DRD2CYP1A2CYP3A4 | |
| SCHEMBL9374358 | 0.69 | SIGMAR1 (0.81) | DRD2CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL22694441 | 0.69 | ALDH1A1 (0.46) | DRD4DRD3DRD2CYP1A2TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-H08509972-A | — | — | 1996-10-22 | — | — | JP | claimed |
| EP-0698020-A1 | PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1996-02-28 | — | — | EP | claimed |
| WO-1994026733-A1 | PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-11-24 | — | — | WO | claimed |
| US-5763448-A | Pyrmidine derivatives | MERCK, SHARP & DOHME LIMITED (GB) | 1998-06-09 | — | — | US | disclosed |
| EP-0698020-A1 | PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1996-02-28 | — | — | EP | disclosed |
| WO-1994026733-A1 | PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-11-24 | — | — | WO | disclosed |